Crystallography Open Database

Information card for entry 7126818

Preview

Coordinates	7126818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C242 H146 Mo12 N16 O54
Calculated formula	C242 H146 Mo12 N16 O54
Title of publication	Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.
Authors of publication	Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	65
Pages of publication	9352 - 9355
a	59.221 ± 0.004 Å
b	23.4873 ± 0.0015 Å
c	41.898 ± 0.002 Å
α	90°
β	125.318 ± 0.003°
γ	90°
Cell volume	47552 ± 5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1508
Residual factor for significantly intense reflections	0.0929
Weighted residual factors for significantly intense reflections	0.2457
Weighted residual factors for all reflections included in the refinement	0.3044
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256025 (current)	2020-09-06	cif/ Updating files of 7126816, 7126817, 7126818, 7126819, 7126820, 7126821, 7126822, 7126823 Original log message: Adding full bibliography for 7126816--7126823.cif.	7126818.cif
253700	2020-07-04	cif/ Adding structures of 7126816, 7126817, 7126818, 7126819, 7126820, 7126821, 7126822, 7126823 via cif-deposit CGI script.	7126818.cif