Crystallography Open Database

Information card for entry 7717169

Preview

Coordinates	7717169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H40 N6 Ni3 O8
Calculated formula	C68 H40 N6 Ni3 O8
Title of publication	Design and synthesis of pillared metal-organic frameworks featuring olefinic fragments.
Authors of publication	Mander, Rachel Leigh; Schmidt, Ashley; Ruf, Michael; Korzyński, Maciej Damian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	47
Pages of publication	18873 - 18879
a	16.609 ± 0.001 Å
b	16.657 ± 0.001 Å
c	22.4511 ± 0.0019 Å
α	79.613 ± 0.005°
β	83.867 ± 0.005°
γ	89.992 ± 0.004°
Cell volume	6073.3 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2169
Residual factor for significantly intense reflections	0.1859
Weighted residual factors for significantly intense reflections	0.4737
Weighted residual factors for all reflections included in the refinement	0.5012
Goodness-of-fit parameter for all reflections included in the refinement	1.828
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7717169.html