Crystallography Open Database

Information card for entry 4085530

Preview

Coordinates	4085530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 B2 O5 Os P2
Calculated formula	C31 H52 B2 O5 Os P2
SMILES	[Os]1([H][B]2([H]1)Oc1ccccc1O2)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(B1Oc2ccccc2O1)C#[O]
Title of publication	Boryl-Dihydrideborate Osmium Complexes: Preparation, Structure, and Dynamic Behavior in Solution
Authors of publication	Esteruelas, Miguel A.; López, Ana M.; Mora, Malka; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	5
Pages of publication	941
a	12.8512 ± 0.0015 Å
b	16.824 ± 0.0019 Å
c	16.3209 ± 0.0018 Å
α	90°
β	101.268 ± 0.002°
γ	90°
Cell volume	3460.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0268
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0552
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085530.cif
134868	2015-04-04	cif/ Updating files of 4085530, 4085531 Original log message: Adding full bibliography for 4085530--4085531.cif.	4085530.cif
132027	2015-02-19	cif/ Adding structures of 4085530, 4085531 via cif-deposit CGI script.	4085530.cif