Crystallography Open Database

Information card for entry 4510024

Preview

Coordinates	4510024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121 H151 N9 O21 Zn2
Calculated formula	C116 H132 N8 O20 Zn2
Title of publication	Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene
Authors of publication	Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	270
a	26.249 ± 0.003 Å
b	10.0932 ± 0.0013 Å
c	47.44 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	12569 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.2156
Weighted residual factors for all reflections included in the refinement	0.2235
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	4510024.cif
179647	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/00.	4510024.cif
104184	2014-03-10	cif/ Adding structures of 4510022, 4510023, 4510024 via cif-deposit CGI script.	4510024.cif