Crystallography Open Database

Information card for entry 4339376

Preview

Coordinates	4339376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C200 H168 Cu6 N60 O64 S4
Calculated formula	C200 H168 Cu6 N53 O43 S4
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	26.36 ± 0.005 Å
b	35.07 ± 0.007 Å
c	38.697 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	35773 ± 12 Å³
Cell temperature	86 ± 2 K
Ambient diffraction temperature	86 ± 2 K
Number of distinct elements	6
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	0.099
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2454
Weighted residual factors for all reflections included in the refinement	0.2598
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	4339376.cif
117298	2014-06-14	cif/ Adding structures of 4339374, 4339375, 4339376, 4339377 via cif-deposit CGI script.	4339376.cif