Crystallography Open Database

Information card for entry 4516964

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Coordinates	4516964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H N O Zn
Calculated formula	C2.4 H1.6 N3.2 Zn0.4
Title of publication	Azide-Based High-Energy Metal-Organic Frameworks with Enhanced Thermal Stability.
Authors of publication	Chi-Durán, Ignacio; Enríquez, Javier; Manquián, Carolina; Fritz, Rubén Alejandro; Vega, Andrés; Serafini, Daniel; Herrera, Felipe; Singh, Dinesh Pratap
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	11
Pages of publication	14398 - 14403
a	20.565 ± 0.003 Å
b	7.6846 ± 0.001 Å
c	14.6916 ± 0.0019 Å
α	90°
β	130.5 ± 0.002°
γ	90°
Cell volume	1765.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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