Crystallography Open Database

Information card for entry 4321921

4321920 << 4321921 >> 4321922

Preview

Coordinates	4321921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H71 Cl2 N3 O P4 Re2
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	15.1232 ± 0.0005 Å
b	23.6696 ± 0.0008 Å
c	24.4036 ± 0.0008 Å
α	111.299 ± 0.0019°
β	96.439 ± 0.002°
γ	104.598 ± 0.002°
Cell volume	7672.5 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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 significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.213
Goodness-of-fit parameter for all reflections included in the refinement	0.891
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.	4321921.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321921.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321921.cif
19784	2011-05-25	../uploads/cif-deposit/cod/cif Adding structures of 4321921 via cif-deposit CGI script.	4321921.cif