Crystallography Open Database

Information card for entry 7049036

Preview

Coordinates	7049036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Li N3 O9 Zn
Calculated formula	C33 H29 Li N2 O8 Zn
Title of publication	Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.
Authors of publication	Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	11
Pages of publication	3676 - 3686
a	11.8491 ± 0.0005 Å
b	29.0049 ± 0.001 Å
c	12.2371 ± 0.0004 Å
α	90°
β	93.249 ± 0.003°
γ	90°
Cell volume	4198.9 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.2063
Weighted residual factors for all reflections included in the refinement	0.218
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224534 (current)	2019-11-08	cif/ Updating files of 7049032, 7049033, 7049034, 7049035, 7049036 Original log message: Adding full bibliography for 7049032--7049036.cif.	7049036.cif
213675	2019-02-16	cif/ Adding structures of 7049032, 7049033, 7049034, 7049035, 7049036 via cif-deposit CGI script.	7049036.cif