Crystallography Open Database

Information card for entry 7242496

Preview

Coordinates	7242496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2
Calculated formula	C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2
Title of publication	One-dimensional and two-dimensional coordination polymers from cluster modular construction
Authors of publication	Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	17
Pages of publication	3160 - 3166
a	22.8904 ± 0.0007 Å
b	22.8904 ± 0.0007 Å
c	27.7745 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	12603.3 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.02 K
Number of distinct elements	9
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.2023
Weighted residual factors for all reflections included in the refinement	0.2535
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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
265947 (current)	2021-06-05	cif/ Updating files of 7242495, 7242496 Original log message: Adding full bibliography for 7242495--7242496.cif.	7242496.cif
263228	2021-03-23	cif/ Adding structures of 7242495, 7242496 via cif-deposit CGI script.	7242496.cif