Crystallography Open Database

Information card for entry 4317542

Preview

Coordinates	4317542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H74 Cl8 Mn4 N O18
Calculated formula	C64.7359 H56 Cl2.7882 Mn4 N O18
Title of publication	Bridging Nitrate Groups in [Mn4O3(NO3)(O2CMe)3(R2dbm)3] (R = H, Et) and [Mn4O2(NO3)(O2CEt)6(bpy)2](ClO4): Acidolysis Routes to Tetranuclear Manganese Carboxylate Complexes
Authors of publication	Guillem Aromí; Sumit Bhaduri; Pau Artús; Kirsten Folting; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	805 - 817
a	21.11 ± 0.003 Å
b	22.183 ± 0.003 Å
c	15.958 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7472.9 ± 1.7 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.7778
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4317542.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317542.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317542.cif
13817	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317542 via cif-deposit CGI script.	4317542.cif