Crystallography Open Database

Information card for entry 4512891

Preview

Coordinates	4512891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H28 N4 O6 Zn
Calculated formula	C21 H28 N4 O6 Zn
Title of publication	Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids
Authors of publication	Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	5
Pages of publication	2223
a	10.0653 ± 0.0005 Å
b	11.3373 ± 0.0009 Å
c	11.7274 ± 0.0007 Å
α	117.625 ± 0.007°
β	92.949 ± 0.005°
γ	102.78 ± 0.006°
Cell volume	1137.8 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179676 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/28.	4512891.cif
138072	2015-06-05	cif/ Updating files of 4512887, 4512888, 4512889, 4512890, 4512891, 4512892 Original log message: Adding full bibliography for 4512887--4512892.cif.	4512891.cif
135196	2015-04-10	cif/ Adding structures of 4512887, 4512888, 4512889, 4512890, 4512891, 4512892 via cif-deposit CGI script.	4512891.cif