Crystallography Open Database

Information card for entry 7100846

Preview

Coordinates	7100846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cu N5
Calculated formula	C12 H8 Cu N5
Title of publication	Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block
Authors of publication	Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen
Journal of publication	Chemical Communications
Year of publication	2005
a	13.2428 ± 0.0009 Å
b	19.5571 ± 0.0012 Å
c	9.1855 ± 0.0007 Å
α	90°
β	106.53 ± 0.009°
γ	90°
Cell volume	2280.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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