Crystallography Open Database

Information card for entry 4339060

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Coordinates	4339060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H6 Cl3 Cu3 N6
Calculated formula	C3 H6 Cl3 Cu3 N6
Title of publication	New coordination motifs of melamine directed by N-H—X (X = Cl or Br) hydrogen bonds.
Authors of publication	Zhang, Lei; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yin, Pei-Xiu; Yao, Yuan-Gen
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	15
Pages of publication	5838 - 5840
a	17.8255 ± 0.0018 Å
b	3.6689 ± 0.0004 Å
c	15.9805 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1045.12 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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