Crystallography Open Database

Information card for entry 1100774

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Coordinates	1100774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 N8 Zn
Calculated formula	C14 H10 N8 Zn
Title of publication	A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis
Authors of publication	Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3618 - 3625
a	14.243 ± 0.0018 Å
b	14.243 ± 0.0018 Å
c	28.419 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5765.2 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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