Crystallography Open Database

Information card for entry 4066897

Preview

Coordinates	4066897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H29 Cl6 Ni P Se
Calculated formula	C34.001 H29.001 Cl6.003 Ni P Se
Title of publication	Alkynyl Selenolate Complexes of Iron, Nickel, and Molybdenum
Authors of publication	Caldwell, Lorraine M.; Hill, Anthony F.; Hulkes, Alexander G.; McQueen, Caitlin M. A.; White, Andrew J. P.; Williams, David J.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6350
a	14.164 ± 0.006 Å
b	17.521 ± 0.006 Å
c	15.348 ± 0.01 Å
α	90°
β	105.6 ± 0.04°
γ	90°
Cell volume	3669 ± 3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1298
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
178560 (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 4/06/68.	4066897.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066897.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066897.cif
34016	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066897, 4066898 via cif-deposit CGI script.	4066897.cif