Crystallography Open Database

Information card for entry 7003358

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Coordinates	7003358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H62 Cl2 Cu4 N8 O18
Calculated formula	C54 H54 Cl2 Cu4 N8 O18
Title of publication	A novel [CuII4] cluster from the assembly of two [CuII2L]+ units by a central µ4-1,1,2,2 perchlorate ligand
Authors of publication	Paital, Alok Ranjan; Bertolasi, Valerio; Aromí, Guillem; Ribas-Ariño, Jordi; Ray, Debashis
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	7
Pages of publication	861 - 864
a	18.8646 ± 0.0002 Å
b	18.8646 ± 0.0002 Å
c	33.0288 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	11754.1 ± 0.2 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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