Crystallography Open Database

Information card for entry 7119781

7119780 << 7119781 >> 7119782

Preview

Coordinates	7119781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H16 F6 N4 O4 Si Zn
Calculated formula	C52 H16 F6 N4 O4 Si Zn
Title of publication	The role of weak interactions in controlling the mode of interpenetration in hybrid ultramicroporous materials.
Authors of publication	Bajpai, Alankriti; Lusi, Matteo; Zaworotko, Michael J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	28
Pages of publication	3978
a	24.9961 ± 0.0007 Å
b	24.9961 ± 0.0007 Å
c	7.4414 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4649.4 ± 0.2 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	7
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1987
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
194927 (current)	2017-04-05	cif/ Updating files of 7119779, 7119780, 7119781 Original log message: Adding full bibliography for 7119779--7119781.cif.	7119781.cif
194135	2017-03-10	cif/ Adding structures of 7119779, 7119780, 7119781 via cif-deposit CGI script.	7119781.cif