Crystallography Open Database

Information card for entry 4502330

Preview

Coordinates	4502330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H64 B2 Cu F8 N17 O6.5
Calculated formula	C70 H64 B2 Cu F8 N17 O6.5
Title of publication	Supramolecular Architectures of Metal Complexes Controlled by a Strong π···π Stacking, 1,8-Naphthalimide Functionalized Third Generation Tris(pyrazolyl)methane Ligand
Authors of publication	Reger, Daniel L.; Sirianni, Eric; Horger, Jacob J.; Smith, Mark D.; Semeniuc, Radu F.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	1
Pages of publication	386
a	29.3169 ± 0.0016 Å
b	9.5421 ± 0.0005 Å
c	26.2643 ± 0.0014 Å
α	90°
β	108.627 ± 0.001°
γ	90°
Cell volume	6962.4 ± 0.6 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
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	0.0572
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4502330.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502330.cif
36351	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502330 via cif-deposit CGI script.	4502330.cif