Crystallography Open Database

Information card for entry 4108966

Preview

Coordinates	4108966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H95 Cl12 Fe Mn6 N24 Nb6 O17
Calculated formula	C108 H84 Cl12 Fe Mn6 N24 Nb6 O17.04
Title of publication	Superexpanded Prussian-Blue Analogue with [Fe(CN)6]4-, [Nb6Cl12(CN)6]4-, and [Mn(salen)]+ as Building Units
Authors of publication	Jianjun Zhang; Abdessadek Lachgar
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	250 - 251
a	16.3466 ± 0.0018 Å
b	16.3466 ± 0.0018 Å
c	42.227 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	9772 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
178835 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/89.	4108966.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108966.cif
57666	2012-05-18	cif/ Adding structures of 4108966 via cif-deposit CGI script.	4108966.cif