Crystallography Open Database

Information card for entry 4334977

Preview

Coordinates	4334977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H43 Cl O Os P2
Calculated formula	C27 H43 Cl O Os P2
SMILES	[OsH3]12(Cl)[P](c3c4[O]2c2c(C(c4ccc3)(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
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	35.13 ± 0.02 Å
b	12.148 ± 0.007 Å
c	14.516 ± 0.008 Å
α	90°
β	111.788 ± 0.006°
γ	90°
Cell volume	5752 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0294
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4334977.cif
100863	2014-02-07	cif/ Adding structures of 4334977 via cif-deposit CGI script.	4334977.cif