Crystallography Open Database

Information card for entry 4070846

Preview

Coordinates	4070846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H54 B O Os P
Calculated formula	C47 H54 B O Os P
SMILES	[Os]12345([P](C(C)C)(C(C)C)C(C)C)([CH2]=[CH]1c1ccccc1)(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Reactions of a Dihydride−Osmium(IV) Complex with Aldehydes: Influence of the Substituent at the Carbonyl Group
Authors of publication	Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Rubio, Lucía
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	799
a	16.86 ± 0.0017 Å
b	10.1387 ± 0.001 Å
c	23.855 ± 0.002 Å
α	90°
β	102.482 ± 0.003°
γ	90°
Cell volume	3981.4 ± 0.7 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1293
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	0.801
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
178597 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08.	4070846.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070846.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070846.cif
42755	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070846 via cif-deposit CGI script.	4070846.cif