Crystallography Open Database

Information card for entry 4334978

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Coordinates	4334978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H44 O Os P2
Calculated formula	C27 H44 O Os P2
Title of publication	POP-Pincer Osmium-Polyhydrides: Head-to-Head (Z)-Dimerization of Terminal Alkynes
Authors of publication	Joaquín Alós; Tamara Bolaño; Miguel A. Esteruelas; Montserrat Oliván; Enrique Oñate; Marta Valencia
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6199 - 6213
a	22.5833 ± 0.0014 Å
b	21.4733 ± 0.0014 Å
c	45.431 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	22031 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179452 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/49.	4334978.cif
100864	2014-02-07	cif/ Adding structures of 4334978 via cif-deposit CGI script.	4334978.cif