Crystallography Open Database

Information card for entry 4321092

Preview

Coordinates	4321092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 F6 N2 O5 P3 Re
Calculated formula	C38 H42 F6 N2 O5 P3 Re
SMILES	[Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](OCC)(OCC)OCC)([n]2ccc(cc2c2[n]1ccc(c2)C)C)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
Title of publication	New Synthetic Routes to Biscarbonylbipyridinerhenium(I) Complexes cis,trans-[Re(X2bpy)(CO)2(PR3)(Y)]n+ (X2bpy = 4,4'-X2-2,2'-bipyridine) via Photochemical Ligand Substitution Reactions, and Their Photophysical and Electrochemical Properties
Authors of publication	Kazuhide Koike; Junji Tanabe; Shigeki Toyama; Hideaki Tsubaki; Kazuhiko Sakamoto; Jeremy R. Westwell; Frank P. A. Johnson; Hisao Hori; Hideki Saitoh; Osamu Ishitani
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2777 - 2783
a	11.592 ± 0.001 Å
b	30.953 ± 0.004 Å
c	11.799 ± 0.002 Å
α	90°
β	94.312 ± 0.007°
γ	90°
Cell volume	4221.6 ± 1 Å³
Cell temperature	298 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.058
Goodness-of-fit parameter for significantly intense reflections	2.813
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoK-alpha
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.	4321092.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321092.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321092.cif
18439	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321092 via cif-deposit CGI script.	4321092.cif