Crystallography Open Database

Information card for entry 1552053

1552052 << 1552053 >> 1552054

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Coordinates	1552053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72.5 H40 N12.8 O22.91 Pd2
Calculated formula	C72.5 H40 N12.788 O22.864 Pd2
Title of publication	Highly branched and loop-rich gels via formation of metal-organic cages linked by polymers
Authors of publication	Aleksandr V. Zhukhovitskiy; Mingjiang Zhong; Eric G. Keeler; Vladimir K. Michaelis; Jessie E. P. Sun; Michael J. A. Hore; Darrin J. Pochan; Robert G. Griffin; Adam P. Willard; Jeremiah A. Johnson
Journal of publication	Nature Chemistry
Year of publication	2016
Journal volume	8
Pages of publication	33 - 41
a	28.134 ± 0.002 Å
b	15.138 ± 0.0012 Å
c	19.4067 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8265.2 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2273
Weighted residual factors for all reflections included in the refinement	0.2592
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
216871 (current)	2019-07-09	cif/ Adding structures of 1552053 via cif-deposit CGI script.	1552053.cif