Crystallography Open Database

Information card for entry 4064904

Preview

Coordinates	4064904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H72 Cl8 O13 P S4 V
Calculated formula	C67 H72 Cl8 O13 P S4 V
Title of publication	Ethylene Polymerization Catalysis by Vanadium-Based Systems Bearing Sulfur-Bridged Calixarenes
Authors of publication	Redshaw, Carl; Clowes, Lucy; Hughes, David L.; Elsegood, Mark R. J.; Yamato, Takehiko
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	21
Pages of publication	5620
a	13.7043 ± 0.0016 Å
b	16.4065 ± 0.0019 Å
c	17.809 ± 0.002 Å
α	85.5859 ± 0.0016°
β	76.1046 ± 0.0016°
γ	74.8501 ± 0.0016°
Cell volume	3751.5 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.1016
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1861
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178543 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/49.	4064904.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064904.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064904.cif
33086	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064903, 4064904 via cif-deposit CGI script.	4064904.cif