Crystallography Open Database

Information card for entry 7036966

Preview

Coordinates	7036966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 Cu Mn2 N6 O13
Calculated formula	C36 H24 Cu Mn2 N6 O12.99
Title of publication	Magnetic order in a novel 3D oxalate-based coordination polymer {[Cu(bpy)3][Mn2(C2O4)3]·H2O}n.
Authors of publication	Jurić, Marijana; Pajić, Damir; Žilić, Dijana; Rakvin, Boris; Molčanov, Krešimir; Popović, Jasminka
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20626 - 20635
a	15.6124 ± 0.0001 Å
b	15.6124 ± 0.0001 Å
c	15.6124 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3805.48 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	212
Hermann-Mauguin space group symbol	P 43 3 2
Hall space group symbol	P 4acd 2ab 3
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7036966.cif
171239	2015-12-09	cif/ Updating files of 7036966 Original log message: Adding full bibliography for 7036966.cif.	7036966.cif
169876	2015-10-30	cif/ Adding structures of 7036966 via cif-deposit CGI script.	7036966.cif