Crystallography Open Database

Information card for entry 4111648

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Coordinates	4111648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 N2 O13 Zn4
Calculated formula	C14 H8 N0.666667 O4.33333 Zn1.33333
Title of publication	Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]
Authors of publication	Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	6374 - 6381
a	22.4509 ± 0.0004 Å
b	22.4509 ± 0.0004 Å
c	22.4509 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	11316.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.1185
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2442
Weighted residual factors for all reflections included in the refinement	0.2854
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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