Crystallography Open Database

Information card for entry 7713745

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Coordinates	7713745.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	HIAM-3007
Formula	C16 H8 N6 Se Zn
Calculated formula	C16 H8 N6 Se Zn
Title of publication	Linker Engineering Toward Near-Infrared-I Emissive Metal-Organic Frameworks for Amines Detection
Authors of publication	Xia, Hai-Lun; Zhou, Kang; Wang, Lei; Zhang, Jian; Liu, Xiao-Yuan
Journal of publication	Dalton Transactions
Year of publication	2023
a	24.0035 ± 0.0007 Å
b	11.2516 ± 0.0005 Å
c	6.9622 ± 0.0002 Å
α	90°
β	95.678 ± 0.002°
γ	90°
Cell volume	1871.11 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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