Crystallography Open Database

Information card for entry 4326365

Preview

Coordinates	4326365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Cl3 Cu3 F6 N10 O8 P Re2
Calculated formula	C60 H60 Cl3 Cu3 F6 N10 O8 P Re2
Title of publication	Immobilization, Trapping, and Anion Exchange of Perrhenate Ion Using Copper-Based Tripodal Complexes
Authors of publication	Rui Cao; Brian D. McCarthy; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9499 - 9507
a	24.0723 ± 0.0018 Å
b	13.7658 ± 0.0011 Å
c	23.2674 ± 0.0018 Å
α	90°
β	95.93 ± 0.001°
γ	90°
Cell volume	7669 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179366 (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 4/32/63.	4326365.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326365.cif
48529	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326365 via cif-deposit CGI script.	4326365.cif