Crystallography Open Database

Information card for entry 4510323

Preview

Coordinates	4510323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H50 N10 O14 Zn2
Calculated formula	C46 H50 N10 O14 Zn2
Title of publication	Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks
Authors of publication	Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1572
a	8.4181 ± 0.0002 Å
b	10.3794 ± 0.0002 Å
c	13.6828 ± 0.0003 Å
α	90°
β	103.697 ± 0.001°
γ	90°
Cell volume	1161.53 ± 0.04 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0313
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.275
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
179650 (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 4/51/03.	4510323.cif
109035	2014-04-07	cif/ Adding structures of 4510323 via cif-deposit CGI script.	4510323.cif