Crystallography Open Database

Information card for entry 7018959

Preview

Coordinates	7018959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H17 Cl N0 O13 Zn4
Calculated formula	C42 H17 Cl O13 Zn4
Title of publication	Functional tolerance in an isoreticular series of highly porous metal‒organic frameworks
Authors of publication	Kim, Min; Boissonnault, Jake A.; Allen, Corinne A.; Dau, Phuong V.; Cohen, Seth M.
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	20
Pages of publication	6277
a	41.247 ± 0.007 Å
b	41.247 ± 0.007 Å
c	17.447 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	25706 ± 8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0966
Weighted residual factors for significantly intense reflections	0.2456
Weighted residual factors for all reflections included in the refinement	0.2671
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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