Crystallography Open Database

Information card for entry 4105935

Preview

Coordinates	4105935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H54 Cl6 N18 O12 Zn3
Calculated formula	C72 H54 Cl6 N18 O12 Zn3
Title of publication	Dramatic Structural Rearrangements in Porous Coordination Networks
Authors of publication	Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	5853 - 5860
a	49.62 ± 0.0001 Å
b	50.589 ± 0.0006 Å
c	6.059 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	15209.5 ± 1.5 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.2073
Weighted residual factors for all reflections included in the refinement	0.2152
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.88559 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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