Crystallography Open Database

Information card for entry 1570931

Preview

Coordinates	1570931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.5 H57.75 Cd2 N8.75 O14.25 S4
Calculated formula	C67.5 H54.75 Cd2 N8.75 O14.25 S4
Title of publication	[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation.
Authors of publication	Wang, Lei; Qiao, Si-Bo; Chen, Yan-Ting; Ma, Xun; Wei, Wei-Ming; Zhang, Jun; Du, Lin; Zhao, Qi-Hua
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	11
Pages of publication	3971 - 3979
a	12.5971 ± 0.0005 Å
b	16.0044 ± 0.0008 Å
c	16.598 ± 0.0008 Å
α	87.861 ± 0.002°
β	89.132 ± 0.001°
γ	85.016 ± 0.002°
Cell volume	3331.1 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
290850 (current)	2024-04-05	cif/ Updating files of 1570931, 1570932, 1570933 Original log message: Adding full bibliography for 1570931--1570933.cif.	1570931.cif
289713	2024-02-06	cif/ Adding structures of 1570931, 1570932, 1570933 via cif-deposit CGI script.	1570931.cif