Crystallography Open Database

Information card for entry 4324074

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Structure parameters

Formula	C67 H99 K N4 O9 Rh
Calculated formula	C67 H99 K N4 O9 Rh
Title of publication	Redox Behavior of Rhodium 9,10-Phenanthrenediimine Complexes
Authors of publication	David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	13 - 21
a	12.5891 ± 0.0007 Å
b	24.1291 ± 0.0013 Å
c	22.6328 ± 0.0012 Å
α	90°
β	105.223 ± 0.001°
γ	90°
Cell volume	6633.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0615
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4324074.cif
179343	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 4/32/40.	4324074.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324074.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324074.cif
24365	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324074 via cif-deposit CGI script.	4324074.cif