Crystallography Open Database

Information card for entry 4311664

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Coordinates	4311664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H5 N4 O
Calculated formula	C4 H5 N4 O
Title of publication	Synthesis and Characterization of a Tetrazolate-Bridged Coordination Framework Encapsulating D2h-Symmetric Cyclic (H2O)4 Cluster Arrays
Authors of publication	Jun Tao; Zhi-Jie Ma; Rong-Bin Huang; Lan-Sun Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6133 - 6135
a	3.6982 ± 0.0003 Å
b	12.4327 ± 0.001 Å
c	11.6718 ± 0.0009 Å
α	90°
β	92.97 ± 0.001°
γ	90°
Cell volume	535.93 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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