Crystallography Open Database

Information card for entry 1558841

Preview

Coordinates	1558841.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Charles4 (Sinai)
Chemical name	NiAAEMA
Formula	C100 H122 Ni6 O54
Calculated formula	C100 H122 Ni6 O54
Title of publication	Bridging experiments and theory: isolating the effects of metal-ligand interactions on viscoelasticity of reversible polymer networks.
Authors of publication	Zhang, Xinyue; Vidavsky, Yuval; Aharonovich, Sinai; Yang, Steven J.; Buche, Michael R.; Diesendruck, Charles E.; Silberstein, Meredith N.
Journal of publication	Soft matter
Year of publication	2020
Journal volume	16
Journal issue	37
Pages of publication	8591 - 8601
a	11.942 ± 0.0019 Å
b	16.17 ± 0.0017 Å
c	17.035 ± 0.003 Å
α	63.651 ± 0.015°
β	79.41 ± 0.07°
γ	78.27 ± 0.02°
Cell volume	2869.7 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258149 (current)	2020-10-06	cif/ Updating files of 1558841 Original log message: Adding full bibliography for 1558841.cif.	1558841.cif
255294	2020-08-13	cif/ Adding structures of 1558841 via cif-deposit CGI script.	1558841.cif