Crystallography Open Database

Information card for entry 4339374

Preview

Coordinates	4339374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C318 H306 Cl18 Cu9 N72 O123 S14
Calculated formula	C315 Cl11 Cu9 N72 O94 S14
Title of publication	Porous metal-organic frameworks based on metal-organic polyhedra with nanosized cavities as supramolecular building blocks: two-fold interpenetrating primitive cubic networks of [Cu6L8]12+ nanocages.
Authors of publication	Park, Jaejoon; Hong, Seunghee; Moon, Dohyun; Park, Mira; Lee, Kyungjin; Kang, Sangmi; Zou, Yang; John, Rohith P.; Kim, Ghyung Hwa; Lah, Myoung Soo
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	24
Pages of publication	10208 - 10213
a	67.645 ± 0.01 Å
b	67.645 ± 0.01 Å
c	21.559 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	85434 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.2092
Residual factor for significantly intense reflections	0.1307
Weighted residual factors for significantly intense reflections	0.3274
Weighted residual factors for all reflections included in the refinement	0.3634
Goodness-of-fit parameter for all reflections included in the refinement	0.852
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	?synchrotronsynchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179496 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/93.	4339374.cif
117298	2014-06-14	cif/ Adding structures of 4339374, 4339375, 4339376, 4339377 via cif-deposit CGI script.	4339374.cif