Crystallography Open Database

Information card for entry 4321920

4321919 << 4321920 >> 4321921

Preview

Coordinates	4321920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 Cl6 F3 N3 O4 P4 Re2 S
Calculated formula	C82 H75 Cl7 F3 N3 O5 P4 Re2 S
Title of publication	Reactions of the Dirhenium(II) Complexes Re2X4(μ-dppm)2 (X = Cl, Br; dppm = Ph2PCH2PPh2) with Isocyanides. 18.1 The Isolation and Characterization of Isomers of the [Re2Cl2(μ-dppm)2(CO)(CNXyl)3]2+ Cation and Its Monocationic and Neutral Congeners
Authors of publication	Yan Ding; Wengan Wu; Phillip E. Fanwick; Richard A. Walton
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	1918 - 1928
a	15.663 ± 0.004 Å
b	23.826 ± 0.006 Å
c	22.492 ± 0.006 Å
α	90°
β	107.26 ± 0.02°
γ	90°
Cell volume	8016 ± 4 Å³
Cell temperature	203 K
Ambient diffraction temperature	203 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
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.	4321920.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321920.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321920.cif
19783	2011-05-25	../uploads/cif-deposit/cod/cif Adding structures of 4321920 via cif-deposit CGI script.	4321920.cif