Crystallography Open Database

Information card for entry 4510054

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Coordinates	4510054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H188 Cu12 N4 O68
Calculated formula	C136 H120 Cu12 N4 O68
Title of publication	Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand
Authors of publication	Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1331
a	26.138 ± 0.003 Å
b	35.912 ± 0.003 Å
c	22.594 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	21208 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.2172
Weighted residual factors for all reflections included in the refinement	0.2417
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4510054.cif
106298	2014-03-15	cif/ Adding structures of 4510054, 4510055, 4510056 via cif-deposit CGI script.	4510054.cif