Crystallography Open Database

Information card for entry 4507923

Preview

Coordinates	4507923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 N8 Ni O6
Calculated formula	C32 H31 N8 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	27.488 ± 0.003 Å
b	14.9399 ± 0.0016 Å
c	9.0717 ± 0.001 Å
α	90°
β	107.373 ± 0.002°
γ	90°
Cell volume	3555.5 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 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	0.0689
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
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.	4507923.cif
87755	2013-08-27	cif/ Adding structures of 4507920, 4507921, 4507922, 4507923, 4507924 via cif-deposit CGI script.	4507923.cif