Crystallography Open Database

Information card for entry 4514465

Preview

Coordinates	4514465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Cl3 Cu17 N36 O41 P W12
Calculated formula	C24 H24 Cl3 Cu17 N36 O41 P W12
Title of publication	Multiunit Catalysts with Synergistic Reactivity: Three-Dimensional Polyoxometalate-Based Coordination Polymers for Highly Efficient Synthesis of Functionalized <i>p</i>-Benzoquinones.
Authors of publication	Chang, Shenzhen; An, Haiyan; Chen, Yanhong; Hou, Yujiao; Zhang, Jie; Zhu, Qingshan
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	41
Pages of publication	37908 - 37919
a	20.88 ± 0.003 Å
b	20.543 ± 0.003 Å
c	20.654 ± 0.003 Å
α	90°
β	113.765 ± 0.003°
γ	90°
Cell volume	8108 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
219654 (current)	2019-10-28	cif/ Adding structures of 4514465 via cif-deposit CGI script.	4514465.cif