Crystallography Open Database

Information card for entry 7060444

Preview

Coordinates	7060444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H63 N18 Ni3 O12
Calculated formula	C78 H63 N18 Ni3 O12
Title of publication	Construction of a series of metal-directed MOFs to explore their physical and chemical properties
Authors of publication	Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	14
Pages of publication	6438 - 6449
a	15.1952 ± 0.0007 Å
b	17.0749 ± 0.0009 Å
c	17.2622 ± 0.0009 Å
α	115.355 ± 0.002°
β	112.757 ± 0.001°
γ	92.171 ± 0.002°
Cell volume	3619.3 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1517
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.1878
Weighted residual factors for all reflections included in the refinement	0.2474
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
264929 (current)	2021-05-05	cif/ Updating files of 7060438, 7060439, 7060440, 7060441, 7060442, 7060443, 7060444 Original log message: Adding full bibliography for 7060438--7060444.cif.	7060444.cif
262985	2021-03-11	cif/ Adding structures of 7060438, 7060439, 7060440, 7060441, 7060442, 7060443, 7060444 via cif-deposit CGI script.	7060444.cif