Crystallography Open Database

Information card for entry 4311547

Preview

Coordinates	4311547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H59 B Rh2 S
Calculated formula	C49 H59 B Rh2 S
SMILES	[Rh]1234567([Rh]89%10%11([S]1CC=C)([c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)(C6)C7)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds
Authors of publication	Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	5688 - 5697
a	29.931 ± 0.002 Å
b	8.7984 ± 0.0007 Å
c	16.809 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4426.6 ± 0.5 Å³
Cell temperature	293.2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311547.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311547.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311547.cif
3046	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311547 via cif-deposit CGI script.	4311547.cif