Crystallography Open Database

Information card for entry 7201559

7201558 << 7201559 >> 7201560

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Coordinates	7201559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Ca2 O17
Calculated formula	C18 H28 Ca2 O17
Title of publication	Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)
Authors of publication	Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	2
Pages of publication	207
a	19.436 ± 0.018 Å
b	13.549 ± 0.013 Å
c	20.662 ± 0.019 Å
α	90°
β	116.932 ± 0.017°
γ	90°
Cell volume	4851 ± 8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
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	0.0734
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
180346 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/15.	7201559.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201559.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201559.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7201559.cif