Crystallography Open Database

Information card for entry 4518781

Preview

Coordinates	4518781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H44 Co3 N6 O16
Calculated formula	C59 H44 Co3 N6 O16
Title of publication	Chemically Robust and Bifunctional Co(II)-Framework for Trace Detection of Assorted Organo-toxins and Highly Cooperative Deacetalization-Knoevenagel Condensation with Pore-Fitting-Induced Size-Selectivity.
Authors of publication	Seal, Nilanjan; Palakkal, Athulya S.; Singh, Manpreet; Goswami, Ranadip; Pillai, Renjith S.; Neogi, Subhadip
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	24
Pages of publication	28378 - 28389
a	14.1982 ± 0.0015 Å
b	16.0559 ± 0.0017 Å
c	16.8088 ± 0.0019 Å
α	94.221 ± 0.003°
β	99.465 ± 0.003°
γ	103.118 ± 0.003°
Cell volume	3656.4 ± 0.7 Å³
Cell temperature	130.15 K
Ambient diffraction temperature	130.15 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	0.1432
Residual factor for significantly intense reflections	0.0945
Weighted residual factors for significantly intense reflections	0.2556
Weighted residual factors for all reflections included in the refinement	0.2987
Goodness-of-fit parameter for all reflections included in the refinement	1.0851
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266949 (current)	2021-07-04	cif/ Updating files of 4518781, 4518782 Original log message: Adding full bibliography for 4518781--4518782.cif.	4518781.cif
266301	2021-06-10	cif/ Adding structures of 4518781 via cif-deposit CGI script.	4518781.cif