Crystallography Open Database

Information card for entry 4504120

Preview

Coordinates	4504120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H56 N2 O24 Zn5
Calculated formula	C66 H56 N2 O24 Zn5
Title of publication	A Novel Metal−Organic Framework with the Diamondoid Topology Constructed from Pentanuclear Zinc−Carboxylate Clusters
Authors of publication	Fang, Qian-Rong; Zhu, Guang-Shan; Jin, Zhao; Xue, Ming; Wei, Xiao; Wang, De-Jun; Qiu, Shi-Lun
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	6
Pages of publication	1035
a	12.829 ± 0.003 Å
b	40.672 ± 0.008 Å
c	18.528 ± 0.004 Å
α	90°
β	109.99 ± 0.03°
γ	90°
Cell volume	9085 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1604
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.2548
Weighted residual factors for all reflections included in the refinement	0.2773
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4504120.html