Crystallography Open Database

Information card for entry 4135113

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Coordinates	4135113.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1
Formula	C30 H21 Cl2 N6 O4
Calculated formula	C30 H21 Cl2 N6 O4
Title of publication	Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.
Authors of publication	Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	12.7314 ± 0.0008 Å
b	14.6585 ± 0.0008 Å
c	15.0308 ± 0.0011 Å
α	90°
β	102.22 ± 0.007°
γ	90°
Cell volume	2741.5 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.2213
Residual factor for significantly intense reflections	0.1583
Weighted residual factors for significantly intense reflections	0.4739
Weighted residual factors for all reflections included in the refinement	0.5385
Goodness-of-fit parameter for all reflections included in the refinement	1.59
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
254318 (current)	2020-07-16	cif/ Adding structures of 4135113 via cif-deposit CGI script.	4135113.cif