Crystallography Open Database

Information card for entry 7119779

7119778 << 7119779 >> 7119780

Preview

Coordinates	7119779.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SIFSIX-15-Cu-i
Formula	C40 H24 Cu F6 N4 Si
Calculated formula	C40 H24 Cu F6 N4 Si
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	29.9341 ± 0.0013 Å
b	28.039 ± 0.0013 Å
c	7.9233 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6650.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1151
Residual factor for significantly intense reflections	0.1026
Weighted residual factors for significantly intense reflections	0.2759
Weighted residual factors for all reflections included in the refinement	0.2877
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7119779.cif
194135	2017-03-10	cif/ Adding structures of 7119779, 7119780, 7119781 via cif-deposit CGI script.	7119779.cif