Crystallography Open Database

Information card for entry 7242495

Preview

Coordinates	7242495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 W2
Calculated formula	C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 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	12.6045 ± 0.0005 Å
b	27.3658 ± 0.001 Å
c	20.1424 ± 0.0007 Å
α	90°
β	91.799 ± 0.001°
γ	90°
Cell volume	6944.3 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	119.98 K
Number of distinct elements	10
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	7242495.cif
263228	2021-03-23	cif/ Adding structures of 7242495, 7242496 via cif-deposit CGI script.	7242495.cif