Crystallography Open Database

Information card for entry 4340390

Preview

Coordinates	4340390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H58 B2 Cl2 Mn2 N8 O3
Calculated formula	C38 H58 B2 Cl2 Mn2 N8 O3
Title of publication	A chloro-bridged dimanganese complex and an oxo-bridged dititanium complex of a ditopic bis(pyrazol-1-yl)borate ligand.
Authors of publication	Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Inorganic chemistry
Year of publication	2005
Journal volume	44
Journal issue	25
Pages of publication	9489 - 9496
a	25.6133 ± 0.0013 Å
b	11.2328 ± 0.0009 Å
c	15.2303 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4381.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1459
Residual factor for significantly intense reflections	0.0972
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
179506 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/03.	4340390.cif
132087	2015-02-19	cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'.	4340390.cif
119817	2014-07-09	cif/ Adding structures of 4340390 via cif-deposit CGI script.	4340390.cif