Crystallography Open Database

Information card for entry 4078902

Preview

Coordinates	4078902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 I3 N5 O2 Rh
Calculated formula	C14 H21 I3 N5 O2 Rh
Title of publication	Rhodium and Iridium Complexes with ChelatingC‒C′-Imidazolylidene‒Pyridylidene Ligands: Systematic Approach to Normal, Abnormal, and Remote Coordination Modes
Authors of publication	Segarra, Candela; Mas-Marzá, Elena; Mata, José A.; Peris, Eduardo
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	14
Pages of publication	5169
a	7.3202 ± 0.0006 Å
b	11.6155 ± 0.0013 Å
c	27.281 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2319.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.212
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MOKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178678 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/89.	4078902.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078902.cif
66437	2012-09-09	cif/ Adding structures of 4078902 via cif-deposit CGI script.	4078902.cif