Crystallography Open Database

Information card for entry 4325171

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Structure parameters

Formula	C74 H58 F12 N10 O8 P2 Re2
Calculated formula	C74 H58 F12 N10 O8 P2 Re2
Title of publication	Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes
Authors of publication	Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4798 - 4810
a	24.7197 ± 0.0006 Å
b	19.1464 ± 0.0005 Å
c	15.339 ± 0.0004 Å
α	90°
β	91.439 ± 0.002°
γ	90°
Cell volume	7257.6 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4325171.cif
179354	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 4/32/51.	4325171.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325171.cif
43624	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325171 via cif-deposit CGI script.	4325171.cif