Crystallography Open Database

Information card for entry 4337086

Preview

Coordinates	4337086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 Mn4 N22 O15
Calculated formula	C42 H40 Mn4 N22 O15
Title of publication	Conversion from a heterochiral [2 + 2] coaxially nested double-helical column to a cationic spiral staircase stimulated by an ionic liquid anion.
Authors of publication	Qin, Jianhua; Jia, Yanyuan; Li, Huijun; Zhao, Bei; Wu, Dongqing; Zang, Shuangquan; Hou, Hongwei; Fan, Yaoting
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	685 - 687
a	22.671 ± 0.004 Å
b	22.671 ± 0.004 Å
c	10.073 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5177 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1744
Weighted residual factors for all reflections included in the refinement	0.2037
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179473 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/70.	4337086.cif
106151	2014-03-15	cif/ Adding structures of 4337086, 4337087 via cif-deposit CGI script.	4337086.cif