Crystallography Open Database

Information card for entry 7210563

Preview

Coordinates	7210563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H56 N12 O18 Zn3
Calculated formula	C68 H48 N12 O18 Zn3
Title of publication	Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters
Authors of publication	Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	40
Pages of publication	8214
a	12.834 ± 0.0012 Å
b	16.313 ± 0.0015 Å
c	17.983 ± 0.0017 Å
α	73.818 ± 0.001°
β	82.768 ± 0.001°
γ	67.562 ± 0.001°
Cell volume	3341.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0985
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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