Crystallography Open Database

Information card for entry 7236666

Preview

Coordinates	7236666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H9 N3 O6 Sc
Calculated formula	C18 H9 N3 O6 Sc
Title of publication	Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal–organic frameworks
Authors of publication	Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	3
Pages of publication	1181
a	8.8618 ± 0.0004 Å
b	48.6247 ± 0.0016 Å
c	14.5573 ± 0.0006 Å
α	90°
β	102.581 ± 0.004°
γ	90°
Cell volume	6122.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1053
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.2508
Weighted residual factors for all reflections included in the refinement	0.2704
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288248 (current)	2023-12-12	cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names.	7236666.cif
236399	2019-11-24	cif/ Adding structures of 7236665, 7236666, 7236667 via cif-deposit CGI script.	7236666.cif