Crystallography Open Database

Information card for entry 1551102

Preview

Coordinates	1551102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H126 N17 O17 P
Calculated formula	C82.5 H84 N17 O17 P
Title of publication	Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations
Authors of publication	Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao
Journal of publication	Chemical Science
Year of publication	2019
a	35.9168 ± 0.0011 Å
b	35.9168 ± 0.0011 Å
c	32.8056 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	42320 ± 3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.161
Residual factor for significantly intense reflections	0.1007
Weighted residual factors for significantly intense reflections	0.282
Weighted residual factors for all reflections included in the refinement	0.3029
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation probe	x-ray
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
215430 (current)	2019-05-23	cif/ Adding structures of 1551100, 1551101, 1551102 via cif-deposit CGI script.	1551102.cif