Crystallography Open Database

Information card for entry 4133559

Preview

Coordinates	4133559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6
Calculated formula	C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6
Title of publication	Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation.
Authors of publication	Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	51
Pages of publication	18183 - 18191
a	32.5147 ± 0.0006 Å
b	32.5147 ± 0.0006 Å
c	37.7674 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	39927.9 ± 1.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
Space group number	97
Hermann-Mauguin space group symbol	I 4 2 2
Hall space group symbol	I 4 2
Residual factor for all reflections	0.0883
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.1808
Goodness-of-fit parameter for all reflections included in the refinement	0.88
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
243316 (current)	2019-11-26	cif/ Adding structures of 4133559 via cif-deposit CGI script.	4133559.cif