Crystallography Open Database

Information card for entry 8103101

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Coordinates	8103101.cif

Structure parameters

Formula	C26 H18 Cu N4 O6
Calculated formula	C26 H18 Cu N4 O6
Title of publication	Crystal structure of (1,10-phenanthroline-?2N:N')-(?2-5-isonicotin- amidoisophthalato-?2O1,O3)copper(II) monohydrate, Cu(C12H8N2)(C14H8N2O5) · H2O
Authors of publication	Yi-Fang Deng; Man-Sheng Chen; Dai-Zhi Kuang; Zhi-Min Chen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	341
a	27.347 ± 0.005 Å
b	13.317 ± 0.003 Å
c	13.523 ± 0.003 Å
α	90 ± 0.001°
β	110.869 ± 0.002°
γ	90 ± 0.001°
Cell volume	4601.7 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	1.336
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
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.	8103101.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8103101.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103101.cif
29031	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103101 via cif-deposit CGI script.	8103101.cif