Crystallography Open Database

Information card for entry 4507921

Preview

Coordinates	4507921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 N7 Ni O6
Calculated formula	C35 H35 N7 Ni O6
Title of publication	Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation
Authors of publication	Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3381
a	8.5961 ± 0.0011 Å
b	15.1874 ± 0.0018 Å
c	25.425 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3319.3 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1572
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179615 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/79.	4507921.cif
87755	2013-08-27	cif/ Adding structures of 4507920, 4507921, 4507922, 4507923, 4507924 via cif-deposit CGI script.	4507921.cif