Crystallography Open Database

Information card for entry 7038631

Preview

Coordinates	7038631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H80 Cl4 Cu6 N8 O34
Calculated formula	C46 H76 Cl4 Cu6 N8 O34
Title of publication	Unique trapping of paddlewheel copper(ii) carboxylate by ligand-bound {Cu2} fragments for [Cu6] assembly.
Authors of publication	Chattopadhyay, Krishna; Shaw, Bikash Kumar; Saha, Shyamal Kumar; Ray, Debashis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	16
Pages of publication	6928 - 6938
a	22.6038 ± 0.0009 Å
b	12.1267 ± 0.0005 Å
c	26.1807 ± 0.0011 Å
α	90°
β	99.424 ± 0.001°
γ	90°
Cell volume	7079.5 ± 0.5 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
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	0.1104
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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