Crystallography Open Database

Information card for entry 4324249

Preview

Coordinates	4324249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H274 Ag7 B88 N11 Sn8
Calculated formula	C76 H274 Ag7 B88 N11 Sn8
SMILES	[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC.[Ag]1234([Ag]5[BH]6789[Sn]%10%11%12([Ag]%13%14%15%16([Ag]2([Sn]2%17%18%191[BH]1%20%21[BH]%22%23%17[BH]%17%242[BH]2%25%26[BH]%27%23%17[BH]%17%20%22[BH]%20%221[BH]2%27%17[BH]1%26%22[BH]%18%21%20[BH]%19%24%251[Ag]%13[Sn]12%13%17%15[BH]%15%18%19[BH]%20%211[BH]1%222[BH]2%23%17[BH]%17%13%15[BH]%13%152[BH]2%18%17[BH]%17%19%20[BH]%18%211[BH]%22%23%13[BH]%152%17%18)[Sn]12%13%154[BH]4%17%18[BH]%19%201[BH]1%212([Ag]%14[Sn]2%14%22%23%16[BH]%16%24%25[BH]%26%272[BH]2%28%14[BH]%14%29%23[BH]%23%22%16[BH]%16%22%14[BH]%14%24%23[BH]%23%25%26[BH]%24%272[BH]%28%29%16[BH]%22%14%23%24)[BH]2%14%13[BH]%13%154[BH]4%15%18[BH]%16%17%20[BH]%17%19%21[BH]%1812[BH]%14%134[BH]%15%16%17%18)[Sn]124%13[BH]%14%15%16%17[Ag]3[BH]3%18%13%15[BH]%13%154[BH]4%192[BH]21%14[BH]1%14%17[BH]%17%163[BH]3%18%15[BH]%15%13%19[BH]421[BH]%14%173%15)[BH]126[BH]34%10[BH]6%10%11[BH]%1157%12[BH]578[BH]891[BH]123[BH]246[BH]%10%115[BH]7812)([Sn]1234[BH]567[BH]891[BH]1%102[BH]2%114[BH]437[BH]376[BH]658[BH]591[BH]1%102[BH]%1143[BH]7651)[Sn]1234[BH]567[BH]891[BH]1%102[BH]2%114[BH]437[BH]376[BH]658[BH]591[BH]1%102[BH]%1143[BH]7651.CC[N+](CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
Title of publication	Homoleptic Coinage Metal Compounds of Group(IV) heteroborates
Authors of publication	Hartmut Schubert; Jörg-Alexander Dimmer; Fritz-Robert Küchle; Klaus Eichele; Lars Wesemann
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	664 - 670
a	15.8873 ± 0.0002 Å
b	28.9709 ± 0.0003 Å
c	19.5813 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9012.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179345 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/42.	4324249.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324249.cif
40954	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324249 via cif-deposit CGI script.	4324249.cif