Crystallography Open Database

Information card for entry 4321922

4321921 << 4321922 >> 4321923

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Coordinates	4321922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 Cl2 F3 N3 O4 P4 Re2 S
Calculated formula	C78 Cl2 N3 O P4 Re2
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	14.07 ± 0.003 Å
b	15.68 ± 0.004 Å
c	20.542 ± 0.005 Å
α	76.73 ± 0.02°
β	75.93 ± 0.02°
γ	87.935 ± 0.018°
Cell volume	4277.7 ± 1.8 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.214
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	Cu-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.	4321922.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321922.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321922.cif
19785	2011-05-25	../uploads/cif-deposit/cod/cif Adding structures of 4321922 via cif-deposit CGI script.	4321922.cif