Crystallography Open Database

Information card for entry 4325173

Preview

Coordinates	4325173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H61 F12 N10 O3.5 P2 Re2
Calculated formula	C74 H46 F12 N10 O3.5 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	14.4508 ± 0.0003 Å
b	15.126 ± 0.0004 Å
c	18.0429 ± 0.0005 Å
α	86.884 ± 0.002°
β	78.297 ± 0.002°
γ	75.048 ± 0.002°
Cell volume	3731.12 ± 0.17 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1983
Weighted residual factors for all reflections included in the refinement	0.2118
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4325173.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325173.cif
43626	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325173 via cif-deposit CGI script.	4325173.cif