Crystallography Open Database

Information card for entry 4507928

Preview

Coordinates	4507928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 N6 O8 Zn2
Calculated formula	C44 H46 N6 O8 Zn2
Title of publication	A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions
Authors of publication	Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3389
a	10.0633 ± 0.0005 Å
b	13.4316 ± 0.0007 Å
c	15.0358 ± 0.0007 Å
α	90°
β	94.9244 ± 0.0009°
γ	90°
Cell volume	2024.83 ± 0.17 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1053
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
179615 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/79.	4507928.cif
87756	2013-08-27	cif/ Adding structures of 4507925, 4507926, 4507927, 4507928, 4507929 via cif-deposit CGI script.	4507928.cif