Crystallography Open Database

Information card for entry 7037311

Preview

Coordinates	7037311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H31 Cl Mn N6 O4 S2
Calculated formula	C22 H31 Cl Mn N6 O4 S2
Title of publication	Mn(ii) complexes of different nuclearity: synthesis, characterization and catecholase-like activity.
Authors of publication	Chakraborty, Prateeti; Majumder, Ishani; Banu, Kazi Sabnam; Ghosh, Bipinbihari; Kara, Hulya; Zangrando, Ennio; Das, Debasis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	2
Pages of publication	742 - 752
a	9.1058 ± 0.0004 Å
b	21.8162 ± 0.0009 Å
c	14.349 ± 0.0006 Å
α	90°
β	97.908 ± 0.001°
γ	90°
Cell volume	2823.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0456
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
288193 (current)	2023-12-08	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name.	7037311.cif
175987	2016-02-05	cif/ Updating files of 7037311, 7037312, 7037313 Original log message: Adding full bibliography for 7037311--7037313.cif.	7037311.cif
170423	2015-11-20	cif/ Adding structures of 7037311, 7037312, 7037313 via cif-deposit CGI script.	7037311.cif