Crystallography Open Database

Information card for entry 4337087

Preview

Coordinates	4337087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H72 Br4 Mn8 N44 O22
Calculated formula	C76 H72 Br4 Mn8 N44 O22
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	19.87 ± 0.003 Å
b	19.87 ± 0.003 Å
c	12.749 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5033.5 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	106
Hermann-Mauguin space group symbol	P 42 b c
Hall space group symbol	P 4c -2ab
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	4337087.cif
106151	2014-03-15	cif/ Adding structures of 4337086, 4337087 via cif-deposit CGI script.	4337087.cif