Crystallography Open Database

Information card for entry 7038632

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Coordinates	7038632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H88 Cl4 Cu6 N8 O34
Calculated formula	C66 H84 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	30.454 ± 0.006 Å
b	13.005 ± 0.003 Å
c	24.876 ± 0.005 Å
α	90°
β	114.482 ± 0.006°
γ	90°
Cell volume	8966 ± 3 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	0.1201
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.212
Weighted residual factors for all reflections included in the refinement	0.2579
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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