Crystallography Open Database

Information card for entry 2228716

Preview

Coordinates	2228716.cif
Structure factors	2228716.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ-thiocyanato-bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba- <i>closo</i>-dodecaborane]silver(I)}
Formula	C30 H76 Ag2 B20 N2 P4 S2
Calculated formula	C30 H76 Ag2 B20 N2 P4 S2
SMILES	[BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]859[BH]526[BH]261[BH]%11%14([C]3%122[P]([Ag]1([P]([C]47%10%13)(C(C)C)C(C)C)SC#[N][Ag]2([P]([C]347[BH]9%10%11[BH]%12%13%14[BH]%16%17%18[BH]%193([BH]3%20%16[BH]%16%12%17[BH]%12%10%13[BH]%1049[BH]7%193[BH]%20%16%12%10)[C]%11%14%18[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)SC#[N]1)(C(C)C)C(C)C)[BH]%15856
Title of publication	Di-μ-thiocyanato-bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane]silver(I)}
Authors of publication	Yang, Liguo; Zhu, Chengchen; Li, Dacheng
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	1
Pages of publication	m2
a	7.8075 ± 0.0009 Å
b	34.22 ± 0.003 Å
c	10.6886 ± 0.0012 Å
α	90°
β	110.074 ± 0.001°
γ	90°
Cell volume	2682.2 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181208 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/87.	2228716.cif 2228716.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2228716.cif 2228716.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228716.cif 2228716.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2228716.cif 2228716.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228716.cif 2228716.hkl
11387	2011-02-15	hkl/: Adding Reflection data for the recently deposited IUCr-originating structures.	2228716.cif 2228716.hkl
9849	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 2228716 via cif-deposit CGI script.	2228716.cif