Crystallography Open Database

Information card for entry 4339375

Preview

Coordinates	4339375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C228 H221 Cl12 Cu6 N48 O79 S5
Calculated formula	C228 H194 Cu6 N48 O31 S5
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	40.65 ± 0.008 Å
b	26.67 ± 0.005 Å
c	43.877 ± 0.009 Å
α	90°
β	110.02 ± 0.03°
γ	90°
Cell volume	44694 ± 17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1167
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.2012
Weighted residual factors for all reflections included in the refinement	0.2163
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
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.	4339375.cif
117298	2014-06-14	cif/ Adding structures of 4339374, 4339375, 4339376, 4339377 via cif-deposit CGI script.	4339375.cif