Crystallography Open Database

Information card for entry 4085631

Preview

Coordinates	4085631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H50 Cl4 N5 O2 Os P
Calculated formula	C50 H50 Cl4 N5 O2 Os P
Title of publication	Bis(pyridylimino)isoindolato (BPI) Osmium Complexes: Structural Chemistry and Reactivity
Authors of publication	Müller, Astrid L.; Wadepohl, Hubert; Gade, Lutz H.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	12
Pages of publication	2810
a	10.4672 ± 0.00008 Å
b	21.53543 ± 0.00015 Å
c	21.50542 ± 0.00018 Å
α	90°
β	101.535 ± 0.0008°
γ	90°
Cell volume	4749.74 ± 0.06 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	7
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	0.038
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	1.232
Diffraction radiation probe	x-ray
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
178745 (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 4/08/56.	4085631.cif
140201	2015-07-05	cif/ Updating files of 4085628, 4085629, 4085630, 4085631 Original log message: Adding full bibliography for 4085628--4085631.cif.	4085631.cif
134220	2015-03-21	cif/ Adding structures of 4085628, 4085629, 4085630, 4085631 via cif-deposit CGI script.	4085631.cif