Crystallography Open Database

Information card for entry 4327671

Preview

Coordinates	4327671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H80 Cl F3 N4 O4 P4 Re2 S
Calculated formula	C88 H80 Cl2 N4 O2 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	15.5808 ± 0.0011 Å
b	21.7521 ± 0.0018 Å
c	13.5611 ± 0.0011 Å
α	90°
β	113.336 ± 0.006°
γ	90°
Cell volume	4220.1 ± 0.6 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	9
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	4327671.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327671.cif
61650	2012-07-05	cif/ Adding structures of 4327671 via cif-deposit CGI script.	4327671.cif