Crystallography Open Database

Information card for entry 4505973

Preview

Coordinates	4505973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 Mn N3 O5
Calculated formula	C10 H7 Mn N3 O5
Title of publication	Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains
Authors of publication	Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2355
a	6.6833 ± 0.0015 Å
b	8.6783 ± 0.0019 Å
c	17.82 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1033.6 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
179595 (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 4/50/59.	4505973.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505973.cif
57453	2012-05-18	cif/ Adding structures of 4505973, 4505974, 4505975, 4505976, 4505977 via cif-deposit CGI script.	4505973.cif