Crystallography Open Database

Information card for entry 7131443

Preview

Coordinates	7131443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H60 Co3 N16 O18
Calculated formula	C92 H60 Co3 N16 O18
Title of publication	Dangling carboxylic-acid functionality in a fish-bone-shaped 2D framework as a hydrogen-bond-donating catalyst in Friedel-Crafts alkylation.
Authors of publication	Seal, Nilanjan; Neogi, Subhadip
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	33
Pages of publication	4954 - 4957
a	13.3607 ± 0.0009 Å
b	14.7831 ± 0.0009 Å
c	25.434 ± 0.0018 Å
α	97.603 ± 0.002°
β	97.392 ± 0.002°
γ	100.151 ± 0.002°
Cell volume	4841.6 ± 0.6 Å³
Cell temperature	302.15 K
Ambient diffraction temperature	302.15 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	0.1132
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.2178
Goodness-of-fit parameter for all reflections included in the refinement	1.0792
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7131443.html