Crystallography Open Database

Information card for entry 4128576

Preview

Coordinates	4128576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H102 As6 Cl6 F36 N22 Pd6
Calculated formula	C138 H102 As6 Cl6 F36 N22 Pd6
Title of publication	Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.
Authors of publication	Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	30
Pages of publication	12147 - 12158
a	21.948 ± 0.004 Å
b	30.273 ± 0.006 Å
c	31.103 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	20666 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1534
Residual factor for significantly intense reflections	0.1278
Weighted residual factors for significantly intense reflections	0.3265
Weighted residual factors for all reflections included in the refinement	0.3485
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4128576.html