Crystallography Open Database

Information card for entry 7212876

Preview

Coordinates	7212876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13.5 N4 O8.75 Zr0.5
Calculated formula	C16 H13.5 N4 O8.75 Zr0.5
Title of publication	Tubular crystals growth for a nanoporous hydrogen-bonded metal‒organic framework
Authors of publication	Mouchaham, Georges; Roques, Nans; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	3496
a	11.0239 ± 0.001 Å
b	17.054 ± 0.001 Å
c	9.754 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1833.8 ± 0.3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	5
Space group number	30
Hermann-Mauguin space group symbol	P n c 2
Hall space group symbol	P 2 -2bc
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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