Crystallography Open Database

Information card for entry 7106401

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Coordinates	7106401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 N4 O5 Zn2
Calculated formula	C15 H12 N4 O5 Zn2
Title of publication	A new approach towards tetrahedral imidazolate frameworks for high and selective CO2 uptake
Authors of publication	Fei Wang; Yan-Xi Tan; Hui Yang; Haixia Zhang; Yao Kang; Jian Zhang
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	5828
a	7.7987 ± 0.0001 Å
b	30.8771 ± 0.0004 Å
c	14.612 ± 0.0002 Å
α	90°
β	104.701 ± 0.001°
γ	90°
Cell volume	3403.4 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0574
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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