Crystallography Open Database

Information card for entry 7240846

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Structure parameters

Formula	C56 H72 Cu4 N8 O26
Calculated formula	C56 H72 Cu4 N8 O26
SMILES	[Cu]123([n]4c(c5cccc[n]15)cccc4)[OH][Cu]1([n]4c(c5cccc[n]15)cccc4)([OH]3[Cu]13([n]4c(c5cccc[n]15)cccc4)[OH][Cu]1([n]4ccccc4c4cccc[n]14)([OH]32)OC(=O)c1cc(ccc1)C(=O)[O-])[OH2].c1(cc(ccc1)C(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer
Authors of publication	Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan
Journal of publication	CrystEngComm
Year of publication	2020
a	14.6945 ± 0.0017 Å
b	17.218 ± 0.002 Å
c	25.968 ± 0.003 Å
α	90°
β	94.777 ± 0.004°
γ	90°
Cell volume	6547.3 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0882
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240846.cif
254261	2020-07-14	cif/ Adding structures of 7240845, 7240846, 7240847 via cif-deposit CGI script.	7240846.cif