Crystallography Open Database

Information card for entry 4342845

Preview

Coordinates	4342845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H6 Cu N5
Calculated formula	C7 H6 Cu N5
Title of publication	Spontaneous resolution, asymmetric catalysis, and fluorescence properties of δ- and λ-[cu(tzmp)]N enantiomers from in situ [2 + 3] cycloaddition synthesis.
Authors of publication	Tang, Yun-Zhi; Xiong, Jian-Bo; Gao, Ji-Xing; Tan, Yu-Hui; Xu, Qing; Wen, He-Rui
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	11
Pages of publication	5462 - 5466
a	8.3819 ± 0.0011 Å
b	5.7198 ± 0.0007 Å
c	9.3376 ± 0.0012 Å
α	90°
β	115.15 ± 0.003°
γ	90°
Cell volume	405.23 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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/4342845.html