Crystallography Open Database

Information card for entry 4335720

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Coordinates	4335720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H12 Cu N8 O15
Calculated formula	C35 H12 Cu N8 O15
Title of publication	A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers
Authors of publication	Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9309 - 9319
a	22.2075 ± 0.0006 Å
b	12.3261 ± 0.0003 Å
c	12.2305 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3347.88 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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