Crystallography Open Database

Information card for entry 4321347

Preview

Coordinates	4321347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Cu F10 N6 O2 V2
Calculated formula	C30 H32 Cu0.5 F10 N6 O2 V2
Title of publication	The Structure-Directing Properties of [VOF5]2-
Authors of publication	Margaret E. Welk; Alexander J. Norquist; Charlotte L. Stern; Kenneth R. Poeppelmeier
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3946 - 3947
a	19.115 ± 0.0013 Å
b	11.296 ± 0.0008 Å
c	18.7432 ± 0.0013 Å
α	90°
β	107.986 ± 0.001°
γ	90°
Cell volume	3849.3 ± 0.5 Å³
Cell temperature	153.2 K
Ambient diffraction temperature	153.2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections	1.686
Goodness-of-fit parameter for all reflections included in the refinement	1.69
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
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.	4321347.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321347.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321347.cif
18698	2011-05-03	../uploads/cif-deposit/cod/cif Adding structures of 4321347 via cif-deposit CGI script.	4321347.cif