Crystallography Open Database

Information card for entry 4512889

Preview

Coordinates	4512889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H64 N18 O21 Zn3
Calculated formula	C64 H64 N18 O21 Zn3
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	12.886 ± 0.0006 Å
b	16.4783 ± 0.0005 Å
c	18.2541 ± 0.0007 Å
α	80.202 ± 0.004°
β	86.039 ± 0.007°
γ	81.673 ± 0.006°
Cell volume	3775.3 ± 0.3 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	0.086
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.2385
Weighted residual factors for all reflections included in the refinement	0.2519
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4512889.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.	4512889.cif
135196	2015-04-10	cif/ Adding structures of 4512887, 4512888, 4512889, 4512890, 4512891, 4512892 via cif-deposit CGI script.	4512889.cif