Crystallography Open Database

Information card for entry 7119742

7119741 << 7119742 >> 7119743

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Coordinates	7119742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H63 N9 O9
Calculated formula	C42 H63 N9 O9
Title of publication	Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.
Authors of publication	Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	26
Pages of publication	3705 - 3708
a	14.666 ± 0.002 Å
b	14.666 ± 0.002 Å
c	12.2227 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	2276.8 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.2057
Residual factor for significantly intense reflections	0.1063
Weighted residual factors for significantly intense reflections	0.2656
Weighted residual factors for all reflections included in the refinement	0.3536
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
194967 (current)	2017-04-05	cif/ Updating files of 7119741, 7119742, 7119743, 7119744 Original log message: Adding full bibliography for 7119741--7119744.cif.	7119742.cif
193016	2017-03-04	cif/ Adding structures of 7119741, 7119742, 7119743, 7119744 via cif-deposit CGI script.	7119742.cif