Crystallography Open Database

Information card for entry 4320046

4320045 << 4320046 >> 4320047

Preview

Coordinates	4320046.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DPA [GaOMe][MeHO-Ru-CO]
Formula	C172.59 H191.56 Ga2 N16 O7.35 Ru2
Calculated formula	C86.2935 H89.9 Ga N8 O5.1855 Ru
Title of publication	Preparation, Characterization, and Luminescence Properties of Gallium-Metal Face-to-Face Diporphyrins (M = H2, GaL, Ru(CO)(OH), Co)
Authors of publication	Pierre D. Harvey; Nathalie Proulx; Geneviève Martin; Marc Drouin; Daniel J. Nurco; Kevin M. Smith; Frédéric Bolze; Claude P. Gros; Roger Guilard
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	4134 - 4142
a	18.946 ± 0.004 Å
b	21.535 ± 0.004 Å
c	21.572 ± 0.004 Å
α	107.38 ± 0.03°
β	96.02 ± 0.03°
γ	94.02 ± 0.03°
Cell volume	8305 ± 3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2059
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.2428
Weighted residual factors for all reflections included in the refinement	0.3169
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
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.	4320046.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320046.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320046.cif
16891	2011-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4320046 via cif-deposit CGI script.	4320046.cif