Crystallography Open Database

Information card for entry 2018974

2018973 << 2018974 >> 2018975

Preview

Coordinates	2018974.cif
Structure factors	2018974.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Chlorido(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate
Formula	C32 H37 Cl2 N4 O10 Rh
Calculated formula	C32 H37 Cl2 N4 O10 Rh
SMILES	[Rh]12345(Cl)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[n]1ccc(cc1c1[n]5ccc(c1)C(=O)OC)C(=O)OC.N1(C(=O)CCC1=O)O.ON1C(=O)CCC1=O.[Cl-]
Title of publication	Chlorido(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate
Authors of publication	Sivanesan, Dharmalingam; Kim, Hyung Min; Sungho, Yoon
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	6
Pages of publication	584 - 587
a	8.6511 ± 0.0007 Å
b	33.613 ± 0.003 Å
c	11.9147 ± 0.0009 Å
α	90°
β	92.723 ± 0.002°
γ	90°
Cell volume	3460.8 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	0.849
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
180858 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89.	2018974.cif 2018974.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018974.cif 2018974.hkl
88055	2013-08-28	cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently.	2018974.cif 2018974.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2018974.cif 2018974.hkl
86650	2013-07-11	cif/ Adding structures of 2018974 via cif-deposit CGI script.	2018974.cif