Crystallography Open Database

Information card for entry 8102533

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Coordinates	8102533.cif

Structure parameters

Formula	C48 H40 Cu N8 O20 Sm2
Calculated formula	C48 H40 Cu N8 O20 Sm2
Title of publication	Crystal structure of bis[diaquaisonicotinatosamarium(III)]-m-isonicotinato-[diisonicotinatocopper(II)], CuSm2(C6H4NO2)8(H2O)4
Authors of publication	Yi-Fang Deng; Xue Nie; Chun-Hua Zhang; Dai-Zhi Kuang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	616
a	9.5218 ± 0.0009 Å
b	15.0371 ± 0.0013 Å
c	18.285 ± 0.0016 Å
α	90°
β	93.822 ± 0.001°
γ	90°
Cell volume	2612.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0467
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102533.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102533.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102533.cif
13272	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102533 via cif-deposit CGI script.	8102533.cif