Crystallography Open Database

Information card for entry 7021219

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Coordinates	7021219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H72.5 N6.5 O27.5 Zn5
Calculated formula	C31 H18 N O22 Zn5
Title of publication	pH-induced different crystalline behaviors in extended metal-organic frameworks based on the same reactants.
Authors of publication	Wang, Hai-Ning; Yang, Guang-Sheng; Wang, Xin-Long; Su, Zhong-Min
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	18
Pages of publication	6294 - 6297
a	44.625 ± 0.0002 Å
b	19.727 ± 0.00015 Å
c	29.019 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	25545.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1755
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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