Crystallography Open Database

Information card for entry 7111967

7111966 << 7111967 >> 7111968

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Coordinates	7111967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H30 N6 O15.5 Zn3
Calculated formula	C40 H30 N6 O15.5 Zn3
Title of publication	Crystallographic determination of solid-state structural transformations in a dynamic metal‒organic framework
Authors of publication	Li, Gui-Lian; Liu, Guang-Zhen; Ma, Lu-Fang; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya
Journal of publication	Chemical Communications
Year of publication	2014
Journal volume	50
Journal issue	20
Pages of publication	2615 - 2617
a	13.838 ± 0.019 Å
b	13.844 ± 0.019 Å
c	14.42 ± 0.03 Å
α	108.31 ± 0.02°
β	110.43 ± 0.02°
γ	107.046 ± 0.016°
Cell volume	2191 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.372
Residual factor for significantly intense reflections	0.1092
Weighted residual factors for significantly intense reflections	0.2503
Weighted residual factors for all reflections included in the refinement	0.3804
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111967.cif
103176	2014-02-26	cif/ Adding structures of 7111963, 7111964, 7111965, 7111966, 7111967 via cif-deposit CGI script.	7111967.cif