Crystallography Open Database

Information card for entry 1557395

Preview

Coordinates	1557395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H68 N18 O27 Zn8
Calculated formula	C102 H68.0004 N18 O27 Zn8
Title of publication	The crucial roles of guest water in a biocompatible coordination network in the catalytic ring-opening polymerization of cyclic esters: a new mechanistic perspective
Authors of publication	Chen, Sheng-Chun; Zhang, Fei-Hang; Huang, Kun-Lin; Tian, Feng; Zhang, Zhi-Hui; Zhou, Renxian; Feng, Xue-Jun; Zhou, Xiaoying; He, Ming-Yang; Gu, Jiande; Chen, Qun; Wu, Chuan-De
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	12
Pages of publication	3345 - 3354
a	22.979 ± 0.005 Å
b	22.979 ± 0.005 Å
c	15.496 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	7086 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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
257411 (current)	2020-10-06	cif/ Updating files of 1557395 Original log message: Adding full bibliography for 1557395.cif.	1557395.cif
250255	2020-04-05	cif/ Updating files of 1557395 Original log message: Adding full bibliography for 1557395.cif.	1557395.cif
248516	2020-02-28	cif/ Adding structures of 1557395 via cif-deposit CGI script.	1557395.cif