Crystallography Open Database

Information card for entry 4327670

Preview

Coordinates	4327670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H74 Cl F3 N4 O4 P4 Re2 S
Calculated formula	C80 H74 Cl N4 O P4 Re2
Title of publication	Reactions of the Dirhenium(II) Complexes Re2X4(μ-dppm)2 (X = Cl, Br; dppm = Ph2PCH2PPh2) with Isocyanides. 19.1 Studies of the Reactions of Five Structural Isomers of Re2Cl2(μ-dppm)2(CO)(CNXyl)3 That Lead to the Dirhenium(I) Complexes [Re2(μ-Cl)(μ-CO)(μ-dppm)2(CNXyl)4]O3SCF3 and [Re2Cl(μ-dppm)2(CO)(CNXyl)3(NCCH3)]O3SCF3
Authors of publication	Yan Ding; Phillip E. Fanwick; Richard A. Walton
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	5165 - 5170
a	14.7789 ± 0.0009 Å
b	15.9222 ± 0.0008 Å
c	20.4073 ± 0.0012 Å
α	101.155 ± 0.003°
β	99.379 ± 0.003°
γ	105.285 ± 0.004°
Cell volume	4427 ± 0.5 Å³
Cell temperature	203 K
Ambient diffraction temperature	203 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179379 (current)	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 4/32/76.	4327670.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327670.cif
61649	2012-07-05	cif/ Adding structures of 4327670 via cif-deposit CGI script.	4327670.cif